Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSS | P25774 | 11/20 | 0.40 |
| ▸ | CTSL | P07711 | 8/20 | 0.38 |
| ▸ | CTSB | P07858 | 3/20 | 0.38 |
| ▸ | CTSK | P43235 | 3/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | PLAU | P00749 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6563827 | 0.79 | CTSS (0.47) | CTSSCTSLCTSBCTSKCHRNB2 | |
| SCHEMBL7438096 | 0.76 | CTSS (0.42) | CTSSCTSLCTSBCTSKPLAU | |
| SCHEMBL3895827 | 0.76 | CTSS (0.43) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6567353 | 0.75 | CHRNB2 (0.42) | CTSSCTSLCTSBCTSKCHRNB2 | |
| SCHEMBL6182445 | 0.73 | CTSS (0.49) | CTSSCTSLCTSBCTSKLMNA | |
| SCHEMBL6565460 | 0.73 | CHRNB2 (0.41) | CTSSCTSLCTSBCTSKCHRNB2 | |
| SCHEMBL3893933 | 0.72 | CTSS (0.39) | CTSSCTSLCTSBCTSK | |
| SCHEMBL6565044 | 0.69 | CHRNB2 (0.41) | CTSSCTSLCTSBCTSKCHRNB2 | |
| SCHEMBL6182870 | 0.68 | CTSS (0.53) | CTSSCTSLCTSBCTSK | |
| Hydrochloric Acid SCHEMBL28665674 | 0.67 | CHRNB2 (0.50) | CHRNB2CHRNB4CHRNA3CHRNA4SMN1; SMN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | claimed |
| WO-2002100849-A2 | NOVEL NITRILES USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2002-12-19 | — | — | WO | disclosed |